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arXiv:2310.05844 · Physical Review X

Certifying Ground-State Properties of Many-Body Systems

Jie Wang, Jacopo Surace, Irénée Frérot, Benoît Legat, Marc-Olivier Renou, Victor Magron, Antonio Acín

Published Jul 11, 2024• 15 citations
arXivHTMLPDF

Abstract

A ubiquitous problem in quantum physics is to understand the ground-state properties of many-body systems. Confronted with the fact that exact diagonalization quickly becomes impossible when increasing the system size, variational approaches are typically employed as a scalable alternative: Energy is minimized over a subset of all possible states and then different physical quantities are computed over the solution state. Despite remarkable success, rigorously speaking, all that variational methods offer are upper bounds on the ground-state energy. On the other hand, so-called relaxations of the ground-state problem based on semidefinite programming represent a complementary approach, providing lower bounds to the ground-state energy. However, in their current implementation, neither variational nor relaxation methods offer provable bound on other observables in the ground state beyond the energy. In this work, we show that the combination of the two classes of approaches can be used to derive certifiable bounds on the value of any observable in the ground state, such as correlation functions of arbitrary order, structure factors, or order parameters. We illustrate the power of this approach in paradigmatic examples of 1D and 2D spin- 1 / 2 Heisenberg models. To improve the scalability of the method, we exploit the symmetries and sparsity of the considered systems to reach sizes of hundreds of particles at much higher precision than previous works. Our analysis therefore shows how to obtain certifiable bounds on many-body ground-state properties beyond energy in a scalable way. Published by the American Physical Society 2024

DOI
10.1103/physrevx.14.031006

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A ubiquitous problem in quantum physics is to understand the ground-state properties of many-body systems. Confronted with the fact that exact diagonalization quickly becomes impossible when increasing the system size, variational approaches are typically employed as a scalable alternative: Energy is minimized over a subset of all possible states and then different physical quantities are computed over the solution state. Despite remarkable success, rigorously speaking, all that variational methods offer are upper bounds on the ground-state energy. On the other hand, so-called relaxations of the ground-state problem based on semidefinite programming represent a complementary approach, providing lower bounds to the ground-state energy. However, in their current implementation, neither variational nor relaxation methods offer provable bound on other observables in the ground state beyond the energy. In this work, we show that the combination of the two classes of approaches can be used to derive certifiable bounds on the value of any observable in the ground state, such as correlation functions of arbitrary order, structure factors, or order parameters. We illustrate the power of this approach in paradigmatic examples of 1D and 2D spin- 1 / 2 Heisenberg models. To improve the scalability of the method, we exploit the symmetries and sparsity of the considered systems to reach sizes of hundreds of particles at much higher precision than previous works. Our analysis therefore shows how to obtain certifiable bounds on many-body ground-state properties beyond energy in a scalable way. Published by the American Physical Society 2024
A fundamental challenge in quantum physics is determining the ground-state properties of many-body systems. Whereas standard variational approaches posit a wave-function ansatz and minimize over the possible states expressible by that ansatz, the problem can alternatively be formulated as a noncommutative polynomial optimization problem and treated through a hierarchy of semidefinite programming relaxations. In contrast to variational calculations, these relaxations provide lower bounds on ground-state energies and both lower and upper bounds on observable expectation values. However, this approach typically suffers from severe scalability issues, limiting its applicability to small-to-medium-scale systems. In this article, we demonstrate that systematically leveraging the inherent structures of the system can substantially mitigate these scalability challenges and thus permits computing meaningful bounds for quantum spin systems on square lattices of size up to 16×1616\times1616×16.
Estimating the steady-state properties of open many-body quantum systems is a fundamental challenge in quantum science and technologies. In this work, we present a scalable approach based on semidefinite programming to derive certified bounds on the expectation value of an arbitrary observable in the steady state of Lindbladian dynamics. We illustrate our method on a series of many-body systems, including paradigmatic spin-1/2 chains and two-dimensional ladders, considering both equilibrium and nonequilibrium steady states. We benchmark our method with state-of-the-art tensor-network approaches that, unlike our method, are only able to provide estimates, with no guarantee, on steady-state quantities. For the tested models, only modest computational effort is needed to obtain certified nontrivial bounds for system sizes intractable by exact methods. Our method introduces the first general numerical tool for bounding steady-state properties of open quantum dynamics, opening an avenue in the understanding of stable configurations in many-body systems.
Gauge theories describe fundamental interactions in the standard model of particle physics and build effective theories in condensed matter physics. Being notoriously hard to simulate, these theories are commonly regularized as lattice gauge theories which can be evaluated with high precision through Monte Carlo algorithms or variational methods. However, Monte Carlo algorithms are not applicable in all regimes due to the sign problem; while variational methods, quantum and classical alike, only give upper-bounds on the ground-state energy. Their precision crucially depends on the chosen ansatz. Here, we present a framework based on a hierarchy of semidefinite programs to yield increasingly good lower-bounds on the ground-state energy and propagate these bounds to extended observables like Wilson loops and mesonic strings. We demonstrate the numerical capabilities by applying the algorithm to a (1+1)-dimensional Z2\mathbb{Z}_2Z2​ theory with dynamic fermionic matter and its pure-gauge version in (2+1)-dimensions. In both cases, we obtain certified intervals for the ground-state energy. For a one-dimensional system with 129 sites, the certified interval has a relative spread of 0.04%0.04\%0.04%. For a two-dimensional system with 97 sites (corresponding to a 7×87 \times 87×8 lattice), the relative spread is 2.08%2.08\%2.08%. Beyond energy estimates, the proposed method provides rigorous bounds on both short- and long-range observables such as Wilson loops over multiple plaquettes and the magnitude of the mesonic string. The method can be both used as a computational microscope into many-body physics and a way to certify results of quantum simulators.
Given a renormalization scheme, we show how to formulate a tractable convex relaxation of the set of feasible local density matrices of a many-body quantum system. The relaxation is obtained by introducing a hierarchy of constraints between the reduced states of ever-growing sets of lattice sites. The coarse-graining maps of the underlying renormalization procedure serve to eliminate a vast number of those constraints, such that the remaining ones can be enforced with reasonable computational means. This process can be used to obtain rigorous lower bounds on the ground-state energy of arbitrary local Hamiltonians by performing a linear optimization over the resulting convex relaxation of reduced quantum states. The quality of the bounds crucially depends on the particular renormalization scheme, which must be tailored to the target Hamiltonian. We apply our method to 1D translation-invariant spin models, obtaining energy bounds comparable to those attained by optimizing over locally translation-invariant states of n≳100 spins. Beyond this demonstration, the general method can be applied to a wide range of other problems, such as spin systems in higher spatial dimensions, electronic structure problems, and various other many-body optimization problems, such as entanglement and nonlocality detection. Published by the American Physical Society 2024
The many-body bootstrap certifies ground-state properties by minimizing energy over correlators constrained only by positivity, without any variational wavefunction. Its cost, however, grows exponentially with the size of the operators involved, placing the long-range string correlators that diagnose topological phases out of reach. We overcome this by treating string operators as primary objects: bare and endpoint-dressed strings satisfy a closed operator algebra with one another and with local words, yielding a semidefinite program whose cost grows only polynomially with string length. A single computation then yields estimates of string correlators of all lengths. Rigorous two-sided bounds are obtained for each target string once the ground-state energy is pinned within a window. When benchmarked against density-matrix renormalization group computations on the cluster Ising and spin−1-1−1 Heisenberg chains, the method certifies the nonlocal string order of the cluster and Haldane phases directly from the Hamiltonian. Our rigorous certification of string order parameters reveal that the sharpness of the bounds is set by which operators enter the calculation, not by their length alone. By exploiting algebraic closure of strings and local words, our framework lifts spatially extended observables into polynomially tractable bootstrap variables, opening up a route to wavefunction-free certification of nonlocal order in quantum many-body systems.
We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large Hilbert space is circumvented by approximating the positivity of the density matrix, order-by-order, in a way that keeps track of a limited set of correlation functions. In particular, the density-matrix description is replaced by a correlation matrix whose dimension is kept linear in system size, to all orders of the approximation. Unlike the conventional variational principle which provides an upper bound on the ground-state energy, in this approach one obtains a lower bound instead. By treating several one-dimensional spin 1/21/21/2 Hamiltonians, we demonstrate the ability of this approach to produce long-range correlations, and a ground-state energy that converges to the exact result. Possible extensions, including to higher-excited states are discussed.